Acta Cryst. (2011). E67, m156-m157  [ doi:10.1107/S1600536810054437 ]

Methyl(phenyl)bis(quinoline-2-carboxylato-²N,O)tin(IV) monohydrate

M. Vafaee, M. M. Amini and S. W. Ng

Online 12 January 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.005 Å
• R factor = 0.032
• wR factor = 0.101
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density       3.61 eA-3 

PLAT972_ALERT_2_A Large Calcd. Non-Metal Negative Residual Density      -3.52 eA-3 

PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Sn1     -30.58 eA-3 

PLAT974_ALERT_2_A Large Calcd. Negative Residual Density on    Sn2     -27.06 eA-3 

PLAT924_ALERT_1_A The Reported and Calculated Rho(min) Differ by .      29.83 eA-3 

PLAT926_ALERT_1_A Reported and Calculated   R1 * 100.0 Differ by .     -19.23      

PLAT927_ALERT_1_A Reported and Calculated  wR2 * 100.0 Differ by .     -43.06      

PLAT928_ALERT_1_A Reported and Calculated    S value   Differ by .      -3.86      

Alert level B
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .         11      
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.86 eA-3 

PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.75 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -3.46 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.99 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.83 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.76 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.65 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.61 eA-3 

PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.54 eA-3 

PLAT925_ALERT_1_B The Reported and Calculated Rho(max) Differ by .       2.42 eA-3 

Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         26      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          4      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.49 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.47 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.36 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.36 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.32 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.24 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.12 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.11 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.86 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.84 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.84 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.75 eA-3 

PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.74 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.45 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.41 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.41 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.40 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.37 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.34 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.33 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.33 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.33 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.31 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.31 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.26 eA-3 

PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.25 eA-3 

PLAT021_ALERT_1_C Ratio Unique / Expected Reflections too High ...       1.05      
PLAT152_ALERT_1_C The Supplied and Calc. Volume s.u. Differ by ...         -2 Units
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         45      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      

   8 ALERT level A = In general: serious problem
  11 ALERT level B = Potentially serious problem
  32 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  39 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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